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(1R,4R,5R,8S,9S,13S)-caryolane-5,8,13-triol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R,4R,5R,8S,9S,13S)-caryolane-5,8,13-triol
SpectraBase Compound ID 1vyGvEMNTPr
InChI InChI=1S/C15H26O3/c1-13(2)8-10-9(13)4-6-14(3)11(16)5-7-15(10,18)12(14)17/h9-12,16-18H,4-8H2,1-3H3/t9-,10+,11-,12+,14-,15+/m1/s1
InChIKey ZNZACRWMACXOCV-NJTCAMEISA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43xJ9xOXH8t
Name (1R,4R,5R,8S,9S,13S)-caryolane-5,8,13-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-13(2)8-10-9(13)4-6-14(3)11(16)5-7-15(10,18)12(14)17/h9-12,16-18H,4-8H2,1-3H3/t9-,10+,11-,12+,14-,15+/m1/s1
InChIKey ZNZACRWMACXOCV-NJTCAMEISA-N
Molecular Weight 254.370 g/mol
SMILES O[C@]1([C@@]2(CC[C@@]3([C@@]([C@]1(CC[C@]2(O)[H])O)(CC3(C)C)[H])[H])C)[H]
SPLASH splash10-03dr-0930000000-01a52efc6aa64cb5de1f
Source of Spectrum G4-69-1433-8
Wiley ID 1694454